N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine

C14H19ClFN — CID 175621021

IUPACN-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine
SMILESC=c1cc(Cl)c(C(C)C)c/c1=C/NCC(C)F
InChIInChI=1S/C14H19ClFN/c1-9(2)13-6-12(8-17-7-11(4)16)10(3)5-14(13)15/h5-6,8-9,11,17H,3,7H2,1-2,4H3/b12-8-
InChIKeyZUSZZWNNMAGMKU-WQLSENKSSA-N
MW255.76 g/mol
LogP2.56
Rot. Bonds4

About N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine

N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine (PubChem CID 175621021) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine
PubChem CID175621021
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine
SMILESC=c1cc(Cl)c(C(C)C)c/c1=C/NCC(C)F
InChIInChI=1S/C14H19ClFN/c1-9(2)13-6-12(8-17-7-11(4)16)10(3)5-14(13)15/h5-6,8-9,11,17H,3,7H2,1-2,4H3/b12-8-
InChIKeyZUSZZWNNMAGMKU-WQLSENKSSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine?
The IUPAC name of N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine (CID 175621021) is N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine.
What is the SMILES notation for N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine?
The canonical SMILES for N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine is C=c1cc(Cl)c(C(C)C)c/c1=C/NCC(C)F.
What is the InChIKey of N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine?
The InChIKey is ZUSZZWNNMAGMKU-WQLSENKSSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-9(2)13-6-12(8-17-7-11(4)16)10(3)5-14(13)15/h5-6,8-9,11,17H,3,7H2,1-2,4H3/b12-8-.
What are the key properties of N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine?
N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chloro-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-2-fluoropropan-1-amine is sourced from PubChem (CID 175621021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).