4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde

C14H13F5O — CID 19039186

IUPAC4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(c2cc(F)c(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C14H13F5O/c15-11-5-10(6-12(16)13(11)14(17,18)19)9-3-1-8(7-20)2-4-9/h5-9H,1-4H2
InChIKeyKFQMDFMJQXBVSV-UHFFFAOYSA-N
MW292.25 g/mol
LogP4.46
Rot. Bonds2

About 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde

4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde (PubChem CID 19039186) has the molecular formula C14H13F5O and a molecular weight of 292.25 g/mol. Its IUPAC name is 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
PubChem CID19039186
Molecular FormulaC14H13F5O
Molecular Weight292.25 g/mol
Exact Mass292.09
IUPAC Name4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(c2cc(F)c(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C14H13F5O/c15-11-5-10(6-12(16)13(11)14(17,18)19)9-3-1-8(7-20)2-4-9/h5-9H,1-4H2
InChIKeyKFQMDFMJQXBVSV-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(3,4,5-trifluorophenyl)cyclohexane-1-carbaldehyde
CID 19039181
5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 162547060
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868571
4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]cyclohexane-1-carbaldehyde
CID 21057423
5-[4-(4,4-difluorobut-1-enyl)cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 54047120
1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene
CID 18658497
1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 67589506
4-(3,4-difluorophenyl)cyclohexane-1-carbaldehyde;2,2,2-trifluoroacetic acid
CID 175215918
5-[4-[2-(4-decylcyclohexyl)ethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 54260786
5-[4-[(E)-4-(4-ethylcyclohexyl)but-3-enyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 139629305
1,3-difluoro-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 70820945
5-[4-[(E)-4-(4-butylcyclohexyl)but-1-enyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 139629279

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde (CID 19039186) is 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde is O=CC1CCC(c2cc(F)c(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde?
The InChIKey is KFQMDFMJQXBVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5O/c15-11-5-10(6-12(16)13(11)14(17,18)19)9-3-1-8(7-20)2-4-9/h5-9H,1-4H2.
What are the key properties of 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde?
4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde has a molecular weight of 292.25 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 19039186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).