(3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine

C10H21F2N — CID 166869564

IUPAC(3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine
SMILESCC[C@@H](N(C)C)C(F)(F)C(C)(C)C
InChIInChI=1S/C10H21F2N/c1-7-8(13(5)6)10(11,12)9(2,3)4/h8H,7H2,1-6H3/t8-/m1/s1
InChIKeyFCLQOJLVNNTNJL-MRVPVSSYSA-N
MW193.28 g/mol
LogP3.01
Rot. Bonds3

About (3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine

(3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine (PubChem CID 166869564) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is (3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine.

Molecular Properties

Compound Name(3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine
PubChem CID166869564
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC Name(3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine
SMILESCC[C@@H](N(C)C)C(F)(F)C(C)(C)C
InChIInChI=1S/C10H21F2N/c1-7-8(13(5)6)10(11,12)9(2,3)4/h8H,7H2,1-6H3/t8-/m1/s1
InChIKeyFCLQOJLVNNTNJL-MRVPVSSYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine?
The IUPAC name of (3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine (CID 166869564) is (3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine.
What is the SMILES notation for (3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine?
The canonical SMILES for (3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine is CC[C@@H](N(C)C)C(F)(F)C(C)(C)C.
What is the InChIKey of (3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine?
The InChIKey is FCLQOJLVNNTNJL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21F2N/c1-7-8(13(5)6)10(11,12)9(2,3)4/h8H,7H2,1-6H3/t8-/m1/s1.
What are the key properties of (3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine?
(3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine has a molecular weight of 193.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4-difluoro-N,N,5,5-tetramethylhexan-3-amine is sourced from PubChem (CID 166869564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).