6,6-difluorooctadecan-2-amine

C18H37F2N — CID 174731685

IUPAC6,6-difluorooctadecan-2-amine
SMILESCCCCCCCCCCCCC(F)(F)CCCC(C)N
InChIInChI=1S/C18H37F2N/c1-3-4-5-6-7-8-9-10-11-12-15-18(19,20)16-13-14-17(2)21/h17H,3-16,21H2,1-2H3
InChIKeyWQOLEGUWHFOHFM-UHFFFAOYSA-N
MW305.50 g/mol
LogP6.45
Rot. Bonds15

About 6,6-difluorooctadecan-2-amine

6,6-difluorooctadecan-2-amine (PubChem CID 174731685) has the molecular formula C18H37F2N and a molecular weight of 305.50 g/mol. Its IUPAC name is 6,6-difluorooctadecan-2-amine.

Molecular Properties

Compound Name6,6-difluorooctadecan-2-amine
PubChem CID174731685
Molecular FormulaC18H37F2N
Molecular Weight305.50 g/mol
Exact Mass305.29
IUPAC Name6,6-difluorooctadecan-2-amine
SMILESCCCCCCCCCCCCC(F)(F)CCCC(C)N
InChIInChI=1S/C18H37F2N/c1-3-4-5-6-7-8-9-10-11-12-15-18(19,20)16-13-14-17(2)21/h17H,3-16,21H2,1-2H3
InChIKeyWQOLEGUWHFOHFM-UHFFFAOYSA-N
XLogP6.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.50
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11,11-difluorooctadecan-2-amine
CID 150665400
(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
nonan-2-amine;2,2,2-trifluoroacetic acid
CID 154996434
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
nonadecane-2,14-diamine
CID 89095951
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
2,2-difluorododecan-1-ol
CID 86222269
2,2-difluorodecan-1-amine
CID 12635530
carbamic acid;undecan-2-amine
CID 175209089

Frequently Asked Questions

What is the IUPAC name of 6,6-difluorooctadecan-2-amine?
The IUPAC name of 6,6-difluorooctadecan-2-amine (CID 174731685) is 6,6-difluorooctadecan-2-amine.
What is the SMILES notation for 6,6-difluorooctadecan-2-amine?
The canonical SMILES for 6,6-difluorooctadecan-2-amine is CCCCCCCCCCCCC(F)(F)CCCC(C)N.
What is the InChIKey of 6,6-difluorooctadecan-2-amine?
The InChIKey is WQOLEGUWHFOHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37F2N/c1-3-4-5-6-7-8-9-10-11-12-15-18(19,20)16-13-14-17(2)21/h17H,3-16,21H2,1-2H3.
What are the key properties of 6,6-difluorooctadecan-2-amine?
6,6-difluorooctadecan-2-amine has a molecular weight of 305.50 g/mol, XLogP of 6.45, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorooctadecan-2-amine is sourced from PubChem (CID 174731685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).