cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine

C15H18F4N2 — CID 155146516

IUPACcis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine
SMILESN[C@H]1CCC[C@H]1NC1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F4N2/c16-11-5-4-9(8-10(11)15(17,18)19)14(6-7-14)21-13-3-1-2-12(13)20/h4-5,8,12-13,21H,1-3,6-7,20H2/t12-,13+/m0/s1
InChIKeyTZHCEZITQJGHQN-QWHCGFSZSA-N
MW302.32 g/mol
LogP3.30
Rot. Bonds3

About cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine

cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine (PubChem CID 155146516) has the molecular formula C15H18F4N2 and a molecular weight of 302.32 g/mol. Its IUPAC name is cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine
PubChem CID155146516
Molecular FormulaC15H18F4N2
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Namecis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine
SMILESN[C@H]1CCC[C@H]1NC1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F4N2/c16-11-5-4-9(8-10(11)15(17,18)19)14(6-7-14)21-13-3-1-2-12(13)20/h4-5,8,12-13,21H,1-3,6-7,20H2/t12-,13+/m0/s1
InChIKeyTZHCEZITQJGHQN-QWHCGFSZSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine?
The IUPAC name of cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine (CID 155146516) is cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine.
What is the SMILES notation for cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine?
The canonical SMILES for cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine is N[C@H]1CCC[C@H]1NC1(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine?
The InChIKey is TZHCEZITQJGHQN-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H18F4N2/c16-11-5-4-9(8-10(11)15(17,18)19)14(6-7-14)21-13-3-1-2-12(13)20/h4-5,8,12-13,21H,1-3,6-7,20H2/t12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine?
cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine has a molecular weight of 302.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 155146516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).