(3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine

C11H23F2N — CID 176932878

IUPAC(3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)[C@H](C)C(F)(F)CN(C)C(C)C
InChIInChI=1S/C11H23F2N/c1-8(2)10(5)11(12,13)7-14(6)9(3)4/h8-10H,7H2,1-6H3/t10-/m0/s1
InChIKeyPHAFJYPJNCPKKF-JTQLQIEISA-N
MW207.31 g/mol
LogP3.25
Rot. Bonds5

About (3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine

(3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine (PubChem CID 176932878) has the molecular formula C11H23F2N and a molecular weight of 207.31 g/mol. Its IUPAC name is (3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name(3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine
PubChem CID176932878
Molecular FormulaC11H23F2N
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC Name(3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)[C@H](C)C(F)(F)CN(C)C(C)C
InChIInChI=1S/C11H23F2N/c1-8(2)10(5)11(12,13)7-14(6)9(3)4/h8-10H,7H2,1-6H3/t10-/m0/s1
InChIKeyPHAFJYPJNCPKKF-JTQLQIEISA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane
CID 176934425
N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 23588538
2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine
CID 142573790
2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 165464054
nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol
CID 169073997
2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79814972
3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 65000340
4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 143734656
1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 66455555
2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62264308
N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine
CID 176601179
methane;1,1,1-trifluoro-2,3-dimethylbutane
CID 157393455

Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of (3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine (CID 176932878) is (3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for (3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for (3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine is CC(C)[C@H](C)C(F)(F)CN(C)C(C)C.
What is the InChIKey of (3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine?
The InChIKey is PHAFJYPJNCPKKF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23F2N/c1-8(2)10(5)11(12,13)7-14(6)9(3)4/h8-10H,7H2,1-6H3/t10-/m0/s1.
What are the key properties of (3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine?
(3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine has a molecular weight of 207.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 176932878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).