(4R)-1,1,1-trifluoroheptan-4-amine

C7H14F3N — CID 104932458

IUPAC(4R)-1,1,1-trifluoroheptan-4-amine
SMILESCCC[C@@H](N)CCC(F)(F)F
InChIInChI=1S/C7H14F3N/c1-2-3-6(11)4-5-7(8,9)10/h6H,2-5,11H2,1H3/t6-/m1/s1
InChIKeySVMFTYOCIPIZGN-ZCFIWIBFSA-N
MW169.19 g/mol
LogP2.46
Rot. Bonds4

About (4R)-1,1,1-trifluoroheptan-4-amine

(4R)-1,1,1-trifluoroheptan-4-amine (PubChem CID 104932458) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is (4R)-1,1,1-trifluoroheptan-4-amine.

Molecular Properties

Compound Name(4R)-1,1,1-trifluoroheptan-4-amine
PubChem CID104932458
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name(4R)-1,1,1-trifluoroheptan-4-amine
SMILESCCC[C@@H](N)CCC(F)(F)F
InChIInChI=1S/C7H14F3N/c1-2-3-6(11)4-5-7(8,9)10/h6H,2-5,11H2,1H3/t6-/m1/s1
InChIKeySVMFTYOCIPIZGN-ZCFIWIBFSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,7,7,7-hexafluoroheptan-4-amine
CID 79954768
1,1,1-trifluorotetradecan-4-amine
CID 79954086
azane;heptan-4-amine
CID 118430725
3-ethylnonane-3,6-diamine
CID 87587189
5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
CID 64567433
1,1,1-trifluorooct-7-yn-4-amine
CID 79953010
1,1,1-trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027354
(4R)-tridecan-4-amine
CID 150614684
1-iodohexan-3-amine
CID 126638870
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
1-ethoxy-7,7,7-trifluoroheptan-3-amine
CID 105174475
ethyl (2R)-2-amino-5,5,5-trifluoropentanoate
CID 95378431

Frequently Asked Questions

What is the IUPAC name of (4R)-1,1,1-trifluoroheptan-4-amine?
The IUPAC name of (4R)-1,1,1-trifluoroheptan-4-amine (CID 104932458) is (4R)-1,1,1-trifluoroheptan-4-amine.
What is the SMILES notation for (4R)-1,1,1-trifluoroheptan-4-amine?
The canonical SMILES for (4R)-1,1,1-trifluoroheptan-4-amine is CCC[C@@H](N)CCC(F)(F)F.
What is the InChIKey of (4R)-1,1,1-trifluoroheptan-4-amine?
The InChIKey is SVMFTYOCIPIZGN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14F3N/c1-2-3-6(11)4-5-7(8,9)10/h6H,2-5,11H2,1H3/t6-/m1/s1.
What are the key properties of (4R)-1,1,1-trifluoroheptan-4-amine?
(4R)-1,1,1-trifluoroheptan-4-amine has a molecular weight of 169.19 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,1,1-trifluoroheptan-4-amine is sourced from PubChem (CID 104932458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).