trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine

C8H17FN2 — CID 167427252

IUPACtrans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine
SMILESN[C@H]1CC[C@H](N)C(CCF)C1
InChIInChI=1S/C8H17FN2/c9-4-3-6-5-7(10)1-2-8(6)11/h6-8H,1-5,10-11H2/t6?,7-,8-/m0/s1
InChIKeyZOIRFRKARIXYNE-ALKRTJFJSA-N
MW160.24 g/mol
LogP0.80
Rot. Bonds2

About trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine

trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine (PubChem CID 167427252) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Nametrans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine
PubChem CID167427252
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Nametrans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine
SMILESN[C@H]1CC[C@H](N)C(CCF)C1
InChIInChI=1S/C8H17FN2/c9-4-3-6-5-7(10)1-2-8(6)11/h6-8H,1-5,10-11H2/t6?,7-,8-/m0/s1
InChIKeyZOIRFRKARIXYNE-ALKRTJFJSA-N
XLogP0.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoroethyl)thian-4-amine
CID 115012877
3-(2-fluoroethyl)-1,1-dioxothian-4-amine
CID 115020249
4-propylcyclohexane-1,3-diamine
CID 175197962
cyclohexane-1,4-diamine;ethane-1,2-diamine
CID 70127275
cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine
CID 58874381
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
2-(2-cyclohexylethyl)cyclopropan-1-amine
CID 131112009
2-[(1R,3S)-3-aminocyclopentyl]ethanol
CID 129385414
2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine
CID 65097775
3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine
CID 3020819
3-(2-fluoroethyl)cyclopentane-1-carboxylic acid
CID 84716733
2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine
CID 91421365

Frequently Asked Questions

What is the IUPAC name of trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine?
The IUPAC name of trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine (CID 167427252) is trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine?
The canonical SMILES for trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine is N[C@H]1CC[C@H](N)C(CCF)C1.
What is the InChIKey of trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine?
The InChIKey is ZOIRFRKARIXYNE-ALKRTJFJSA-N. The full InChI is InChI=1S/C8H17FN2/c9-4-3-6-5-7(10)1-2-8(6)11/h6-8H,1-5,10-11H2/t6?,7-,8-/m0/s1.
What are the key properties of trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine?
trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine has a molecular weight of 160.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 167427252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).