2-(trifluoromethyl)nonanal

C10H17F3O — CID 85157454

IUPAC2-(trifluoromethyl)nonanal
SMILESCCCCCCCC(C=O)C(F)(F)F
InChIInChI=1S/C10H17F3O/c1-2-3-4-5-6-7-9(8-14)10(11,12)13/h8-9H,2-7H2,1H3
InChIKeyUXQZIHQGQGOQQG-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.72
Rot. Bonds7

About 2-(trifluoromethyl)nonanal

2-(trifluoromethyl)nonanal (PubChem CID 85157454) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(trifluoromethyl)nonanal.

Molecular Properties

Compound Name2-(trifluoromethyl)nonanal
PubChem CID85157454
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name2-(trifluoromethyl)nonanal
SMILESCCCCCCCC(C=O)C(F)(F)F
InChIInChI=1S/C10H17F3O/c1-2-3-4-5-6-7-9(8-14)10(11,12)13/h8-9H,2-7H2,1H3
InChIKeyUXQZIHQGQGOQQG-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1,2,2,2-pentachloroethyl)heptanal
CID 102588021
(2S)-2-fluorohexadecanal
CID 134857256
5-methyl-2-(trifluoromethyl)hexanal
CID 141205301
2-aminooctanal
CID 54076326
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
2-undecylpropanedial
CID 20505732
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
2-methyldodecanal
CID 87784106
1,1,1-trifluoroundecane-2-thiol
CID 139974257
2-sulfanyltridecanal
CID 134564742
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
3-nonyldodecanal
CID 142613821

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)nonanal?
The IUPAC name of 2-(trifluoromethyl)nonanal (CID 85157454) is 2-(trifluoromethyl)nonanal.
What is the SMILES notation for 2-(trifluoromethyl)nonanal?
The canonical SMILES for 2-(trifluoromethyl)nonanal is CCCCCCCC(C=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)nonanal?
The InChIKey is UXQZIHQGQGOQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-2-3-4-5-6-7-9(8-14)10(11,12)13/h8-9H,2-7H2,1H3.
What are the key properties of 2-(trifluoromethyl)nonanal?
2-(trifluoromethyl)nonanal has a molecular weight of 210.24 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)nonanal is sourced from PubChem (CID 85157454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).