(3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine

C9H19F2N — CID 160921284

IUPAC(3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine
SMILESCC(C)[C@@](C)(C(C)N)C(C)(F)F
InChIInChI=1S/C9H19F2N/c1-6(2)8(4,7(3)12)9(5,10)11/h6-7H,12H2,1-5H3/t7?,8-/m0/s1
InChIKeyRHUNRFPRYIMHJK-MQWKRIRWSA-N
MW179.25 g/mol
LogP2.65
Rot. Bonds3

About (3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine

(3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine (PubChem CID 160921284) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is (3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name(3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine
PubChem CID160921284
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC Name(3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine
SMILESCC(C)[C@@](C)(C(C)N)C(C)(F)F
InChIInChI=1S/C9H19F2N/c1-6(2)8(4,7(3)12)9(5,10)11/h6-7H,12H2,1-5H3/t7?,8-/m0/s1
InChIKeyRHUNRFPRYIMHJK-MQWKRIRWSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-fluoro-3-methylbutan-2-amine
CID 83814959
2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine
CID 159945347
(2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride
CID 86659431
4-methyl-3-propan-2-ylpentane-2,3-diamine
CID 23346809
3,4-dimethyl-3-propan-2-ylpentan-2-amine
CID 22347193
1-bromo-1,1-difluoropropan-2-amine;hydrochloride
CID 87594720
(3S)-2,2-difluoro-4-methylpentan-3-amine
CID 84648303
(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride
CID 87235150
3-aminobutane-2,2-dithiol
CID 145385603
2-chloro-2-fluoro-3-methylbutane
CID 88897527
2,2-difluoropropane-1,1-diamine;hydrochloride
CID 87958689
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
CID 167184895

Frequently Asked Questions

What is the IUPAC name of (3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine?
The IUPAC name of (3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine (CID 160921284) is (3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine.
What is the SMILES notation for (3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine?
The canonical SMILES for (3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine is CC(C)[C@@](C)(C(C)N)C(C)(F)F.
What is the InChIKey of (3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine?
The InChIKey is RHUNRFPRYIMHJK-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H19F2N/c1-6(2)8(4,7(3)12)9(5,10)11/h6-7H,12H2,1-5H3/t7?,8-/m0/s1.
What are the key properties of (3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine?
(3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine has a molecular weight of 179.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4-difluoro-3-methyl-3-propan-2-ylpentan-2-amine is sourced from PubChem (CID 160921284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).