2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol

C12H10ClF5O — CID 54568761

IUPAC2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol
SMILESC=C(Cl)C(O)C(F)(F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10ClF5O/c1-7(13)10(19)11(14,15)6-8-3-2-4-9(5-8)12(16,17)18/h2-5,10,19H,1,6H2
InChIKeyBMDKCCWOYWJJMC-UHFFFAOYSA-N
MW300.65 g/mol
LogP4.00
Rot. Bonds4

About 2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol

2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol (PubChem CID 54568761) has the molecular formula C12H10ClF5O and a molecular weight of 300.65 g/mol. Its IUPAC name is 2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol.

Molecular Properties

Compound Name2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol
PubChem CID54568761
Molecular FormulaC12H10ClF5O
Molecular Weight300.65 g/mol
Exact Mass300.03
IUPAC Name2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol
SMILESC=C(Cl)C(O)C(F)(F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10ClF5O/c1-7(13)10(19)11(14,15)6-8-3-2-4-9(5-8)12(16,17)18/h2-5,10,19H,1,6H2
InChIKeyBMDKCCWOYWJJMC-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.65
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
CID 139245537
1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene
CID 54277756
3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 65149566
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 121456490
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
(2S,3R,4R,5R)-8-methyl-4,6-bis[[3-(trifluoromethyl)phenyl]methyl]non-8-ene-1,2,3,4,5,6-hexol
CID 141459658
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol?
The IUPAC name of 2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol (CID 54568761) is 2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol.
What is the SMILES notation for 2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol?
The canonical SMILES for 2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol is C=C(Cl)C(O)C(F)(F)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol?
The InChIKey is BMDKCCWOYWJJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF5O/c1-7(13)10(19)11(14,15)6-8-3-2-4-9(5-8)12(16,17)18/h2-5,10,19H,1,6H2.
What are the key properties of 2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol?
2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol has a molecular weight of 300.65 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol is sourced from PubChem (CID 54568761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).