2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine

C9H17FN2 — CID 178011559

IUPAC2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine
SMILESC=C(C)NC1CCC(N)CC1F
InChIInChI=1S/C9H17FN2/c1-6(2)12-9-4-3-7(11)5-8(9)10/h7-9,12H,1,3-5,11H2,2H3
InChIKeyJWRQHMNHSMYUOM-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.33
Rot. Bonds2

About 2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine

2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine (PubChem CID 178011559) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine
PubChem CID178011559
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine
SMILESC=C(C)NC1CCC(N)CC1F
InChIInChI=1S/C9H17FN2/c1-6(2)12-9-4-3-7(11)5-8(9)10/h7-9,12H,1,3-5,11H2,2H3
InChIKeyJWRQHMNHSMYUOM-UHFFFAOYSA-N
XLogP1.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine (CID 178011559) is 2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine is C=C(C)NC1CCC(N)CC1F.
What is the InChIKey of 2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine?
The InChIKey is JWRQHMNHSMYUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-6(2)12-9-4-3-7(11)5-8(9)10/h7-9,12H,1,3-5,11H2,2H3.
What are the key properties of 2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine?
2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine has a molecular weight of 172.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 178011559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).