(3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine

C10H22FN — CID 166870103

IUPAC(3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine
SMILESCC[C@@H](C(F)C(C)(C)C)N(C)C
InChIInChI=1S/C10H22FN/c1-7-8(12(5)6)9(11)10(2,3)4/h8-9H,7H2,1-6H3/t8-,9?/m0/s1
InChIKeyHCJLOFRAKJHPPK-IENPIDJESA-N
MW175.29 g/mol
LogP2.71
Rot. Bonds3

About (3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine

(3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine (PubChem CID 166870103) has the molecular formula C10H22FN and a molecular weight of 175.29 g/mol. Its IUPAC name is (3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine.

Molecular Properties

Compound Name(3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine
PubChem CID166870103
Molecular FormulaC10H22FN
Molecular Weight175.29 g/mol
Exact Mass175.17
IUPAC Name(3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine
SMILESCC[C@@H](C(F)C(C)(C)C)N(C)C
InChIInChI=1S/C10H22FN/c1-7-8(12(5)6)9(11)10(2,3)4/h8-9H,7H2,1-6H3/t8-,9?/m0/s1
InChIKeyHCJLOFRAKJHPPK-IENPIDJESA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,2,2,4,4-hexamethylpentan-3-amine
CID 12818199
N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine
CID 123257816
2-Tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine
CID 126704122
2-Tert-butyl-1-(2-fluoroethyl)pyrrolidine
CID 126995746
N-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine
CID 134171503
1-Butan-2-yl-2-tert-butyl-4-fluoropyrrolidine
CID 138631412
2-Tert-butyl-1-ethyl-4-fluoropyrrolidine
CID 146408380
2-Tert-butyl-4-fluoro-1-methylpyrrolidine
CID 147178923
(2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine
CID 149086878
2-Tert-butyl-3-fluoro-1-methylpyrrolidine
CID 155459405
(2R)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine
CID 162459716
(2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine
CID 162459725

Frequently Asked Questions

What is the IUPAC name of (3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine?
The IUPAC name of (3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine (CID 166870103) is (3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine.
What is the SMILES notation for (3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine?
The canonical SMILES for (3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine is CC[C@@H](C(F)C(C)(C)C)N(C)C.
What is the InChIKey of (3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine?
The InChIKey is HCJLOFRAKJHPPK-IENPIDJESA-N. The full InChI is InChI=1S/C10H22FN/c1-7-8(12(5)6)9(11)10(2,3)4/h8-9H,7H2,1-6H3/t8-,9?/m0/s1.
What are the key properties of (3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine?
(3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine has a molecular weight of 175.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine is sourced from PubChem (CID 166870103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).