N-(1,1-difluoropropan-2-yl)octan-1-amine

C11H23F2N — CID 102869921

IUPACN-(1,1-difluoropropan-2-yl)octan-1-amine
SMILESCCCCCCCCNC(C)C(F)F
InChIInChI=1S/C11H23F2N/c1-3-4-5-6-7-8-9-14-10(2)11(12)13/h10-11,14H,3-9H2,1-2H3
InChIKeyMFQIXSQHIKDJEL-UHFFFAOYSA-N
MW207.31 g/mol
LogP3.59
Rot. Bonds9

About N-(1,1-difluoropropan-2-yl)octan-1-amine

N-(1,1-difluoropropan-2-yl)octan-1-amine (PubChem CID 102869921) has the molecular formula C11H23F2N and a molecular weight of 207.31 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)octan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)octan-1-amine
PubChem CID102869921
Molecular FormulaC11H23F2N
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC NameN-(1,1-difluoropropan-2-yl)octan-1-amine
SMILESCCCCCCCCNC(C)C(F)F
InChIInChI=1S/C11H23F2N/c1-3-4-5-6-7-8-9-14-10(2)11(12)13/h10-11,14H,3-9H2,1-2H3
InChIKeyMFQIXSQHIKDJEL-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 53.59
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

N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
CID 107849401
2-(tetradecylamino)propane-1,1-diol
CID 174762987
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
CID 29291947
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
N-propan-2-ylicosan-1-amine
CID 87246132
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine
CID 106209686
(2S,3R)-2-(dodecylamino)octadecan-3-ol
CID 139552165

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)octan-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)octan-1-amine (CID 102869921) is N-(1,1-difluoropropan-2-yl)octan-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)octan-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)octan-1-amine is CCCCCCCCNC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)octan-1-amine?
The InChIKey is MFQIXSQHIKDJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N/c1-3-4-5-6-7-8-9-14-10(2)11(12)13/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)octan-1-amine?
N-(1,1-difluoropropan-2-yl)octan-1-amine has a molecular weight of 207.31 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)octan-1-amine is sourced from PubChem (CID 102869921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).