11,11-difluorooctadecan-2-amine

C18H37F2N — CID 150665400

IUPAC11,11-difluorooctadecan-2-amine
SMILESCCCCCCCC(F)(F)CCCCCCCCC(C)N
InChIInChI=1S/C18H37F2N/c1-3-4-5-9-12-15-18(19,20)16-13-10-7-6-8-11-14-17(2)21/h17H,3-16,21H2,1-2H3
InChIKeyJETNRCNSDQWMPD-UHFFFAOYSA-N
MW305.50 g/mol
LogP6.45
Rot. Bonds15

About 11,11-difluorooctadecan-2-amine

11,11-difluorooctadecan-2-amine (PubChem CID 150665400) has the molecular formula C18H37F2N and a molecular weight of 305.50 g/mol. Its IUPAC name is 11,11-difluorooctadecan-2-amine.

Molecular Properties

Compound Name11,11-difluorooctadecan-2-amine
PubChem CID150665400
Molecular FormulaC18H37F2N
Molecular Weight305.50 g/mol
Exact Mass305.29
IUPAC Name11,11-difluorooctadecan-2-amine
SMILESCCCCCCCC(F)(F)CCCCCCCCC(C)N
InChIInChI=1S/C18H37F2N/c1-3-4-5-9-12-15-18(19,20)16-13-10-7-6-8-11-14-17(2)21/h17H,3-16,21H2,1-2H3
InChIKeyJETNRCNSDQWMPD-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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Frequently Asked Questions

What is the IUPAC name of 11,11-difluorooctadecan-2-amine?
The IUPAC name of 11,11-difluorooctadecan-2-amine (CID 150665400) is 11,11-difluorooctadecan-2-amine.
What is the SMILES notation for 11,11-difluorooctadecan-2-amine?
The canonical SMILES for 11,11-difluorooctadecan-2-amine is CCCCCCCC(F)(F)CCCCCCCCC(C)N.
What is the InChIKey of 11,11-difluorooctadecan-2-amine?
The InChIKey is JETNRCNSDQWMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37F2N/c1-3-4-5-9-12-15-18(19,20)16-13-10-7-6-8-11-14-17(2)21/h17H,3-16,21H2,1-2H3.
What are the key properties of 11,11-difluorooctadecan-2-amine?
11,11-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 11,11-difluorooctadecan-2-amine is sourced from PubChem (CID 150665400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).